VAsO5
VAsO5 is a thermodynamically stable semiconducting oxide composed of vanadium, arsenic, and oxygen.
About VAsO5
VAsO5 is a semiconducting inorganic compound that occupies a stable position on the thermodynamic convex hull. Its structural diversity is highlighted by numerous reported configurations, reflecting a complex interplay between vanadium, arsenic, and oxygen atoms.
This material is of interest for researchers investigating stable ternary oxides that exhibit semiconducting behavior. Its thermodynamic stability suggests potential for integration into functional devices where robust material phases are required.
Key Properties
Cross-validated computational properties for VAsO5, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for VAsO5, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.13 | 0.0000 | -7.445 | 3.80 |
| P21/c (No. 14) | monoclinic | 2.47 | 0.0043 | -7.441 | 4.04 |
| P212121 (No. 19) | orthorhombic | 2.20 | 0.1235 | -7.322 | 3.04 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 3.04 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 3.33 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 3.12 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.65 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.90 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.15 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.55 |
| No. 0 | unknown | — | — | — | 1.02 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.78 |
Frequently Asked Questions
Common questions about VAsO5, answered from cross-validated data.
What is VAsO5?
VAsO5 is a thermodynamically stable semiconducting oxide composed of vanadium, arsenic, and oxygen.
What is the band gap of VAsO5?
Is VAsO5 a metal, semiconductor, or insulator?
Is VAsO5 thermodynamically stable?
What is the crystal structure of VAsO5?
What is the density of VAsO5?
How many polymorphs of VAsO5 are known?
What elements does VAsO5 contain?
Where does the data for VAsO5 come from?
How It Compares
As a thermodynamically stable phase, VAsO5 represents a well-defined structural arrangement within the vanadium-arsenic-oxygen system, serving as a key reference point for understanding stability trends in complex oxide semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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